2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0891 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 548.08 |
| Molecular Formula: | C29 H27 Cl F N5 O S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1c(cccc1[Cl])F)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4599 |
| logD: | 7.4594 |
| logSw: | -6.43 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | LSOVIAPFNWMQMI-SANMLTNESA-N |